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A new force field model for the simulation of transport properties of imidazolium-based ionic liquids

PCCP. Physical chemistry chemical physics (Print), 2011-01, Vol.13 (17), p.7910-7920

2011

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Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties

The journal of physical chemistry. B, 2014-09, Vol.118 (36), p.10716-10724

2014

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Molecular dynamic study of alcohol-based deep eutectic solvents

The Journal of chemical physics, 2021-08, Vol.155 (6), p.064506-064506

2021

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Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures

Molecules (Basel, Switzerland), 2021-09, Vol.26 (19), p.5779

2021

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Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (21), p.14899-14918

2018

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Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents

Molecules (Basel, Switzerland), 2022-07, Vol.27 (15), p.4896

2022

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Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection

Molecules (Basel, Switzerland), 2022-05, Vol.27 (10), p.3315

2022

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Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study

Journal of molecular liquids, 2019-11, Vol.294, p.111538, Article 111538

2019

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Interactions in the ionic liquid [EMIM][FAP]: a coupled experimental and computational analysis

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (4), p.2617-2628

2016

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Ammonium-, phosphonium- and sulfonium-based 2-cyanopyrrolidine ionic liquids for carbon dioxide fixation

Physical chemistry chemical physics : PCCP, 2022-04, Vol.24 (16), p.9659-9672

2022

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Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach

Sensors and actuators. B, Chemical, 2021-02, Vol.329, p.129112, Article 129112

2021

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Acetonitrile Boosts Conductivity of Imidazolium Ionic Liquids

The journal of physical chemistry. B, 2012-07, Vol.116 (26), p.7719-7727

2012

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Ionic liquid–metal interface: The origins of capacitance peaks

Electrochimica acta, 2021-05, Vol.379, p.138148, Article 138148

2021

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Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations

Journal of molecular liquids, 2023-11, Vol.390, p.122946, Article 122946

2023

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A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulation

Analytica chimica acta, 2022-02, Vol.1194, p.339410-339410, Article 339410

2022

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NaRIBaS—A Scripting Framework for Computational Modeling of Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab

Computation, 2018-12, Vol.6 (4), p.57

2018

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Development of a molecular imprinted electrochemiluminescence sensor for amitriptyline detection: From MD simulations to experimental implementation

Electrochimica acta, 2021-11, Vol.397, p.139273, Article 139273

2021

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Conductometric study of binary systems based on ionic liquids and acetonitrile in a wide concentration range

Electrochimica acta, 2013-08, Vol.105, p.188-199

2013

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Magnetic Ionic Liquids: Current Achievements and Future Perspectives with a Focus on Computational Approaches

Chemical reviews, 2024-03, Vol.124 (6), p.3392-3415

2024

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Improved Force Field Model for the Deep Eutectic Solvent Ethaline: Reliable Physicochemical Properties

The journal of physical chemistry. B, 2016-09, Vol.120 (38), p.10124-10137

2016

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On the thickness of the double layer in ionic liquids

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (15), p.10275-10285

2018

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Hysteresis in the MD Simulations of Differential Capacitance at the Ionic Liquid–Au Interface

The journal of physical chemistry letters, 2020-12, Vol.11 (24), p.10408-10413

2020

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New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics

The journal of physical chemistry. B, 2017-12, Vol.121 (48), p.10906-10921

2017

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On the role of the surface charge plane position at Au(hkl)–BMImPF6 interfaces

Electrochimica acta, 2019-09, Vol.318, p.76-82

2019

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Enhancement of differential double layer capacitance and charge accumulation by tuning the composition of ionic liquids mixtures

Electrochimica acta, 2018-01, Vol.261, p.214-220

2018

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A new force field model for the simulation of transport properties of imidazolium-based ionic liquids

Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties

Molecular dynamic study of alcohol-based deep eutectic solvents

Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures

Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study

Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents

Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection

Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study

Interactions in the ionic liquid [EMIM][FAP]: a coupled experimental and computational analysis

Ammonium-, phosphonium- and sulfonium-based 2-cyanopyrrolidine ionic liquids for carbon dioxide fixation

Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach

Acetonitrile Boosts Conductivity of Imidazolium Ionic Liquids

Ionic liquid–metal interface: The origins of capacitance peaks

Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations

A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulation

NaRIBaS—A Scripting Framework for Computational Modeling of Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab

Development of a molecular imprinted electrochemiluminescence sensor for amitriptyline detection: From MD simulations to experimental implementation

Conductometric study of binary systems based on ionic liquids and acetonitrile in a wide concentration range

Magnetic Ionic Liquids: Current Achievements and Future Perspectives with a Focus on Computational Approaches

Improved Force Field Model for the Deep Eutectic Solvent Ethaline: Reliable Physicochemical Properties

On the thickness of the double layer in ionic liquids

Hysteresis in the MD Simulations of Differential Capacitance at the Ionic Liquid–Au Interface

New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics

On the role of the surface charge plane position at Au(hkl)–BMImPF6 interfaces

Enhancement of differential double layer capacitance and charge accumulation by tuning the composition of ionic liquids mixtures

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